1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine

C21H17BrN2 — CID 94831928

IUPAC1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine
SMILESBrc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-7-5-16(6-8-19)13-23-20-9-11-21(12-10-20)24-14-17-3-1-2-4-18(17)15-24/h1-13H,14-15H2/b23-13+
InChIKeySSKUJZQNGKAZCK-YDZHTSKRSA-N
MW377.29 g/mol
LogP5.72
Rot. Bonds3

About 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine

1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine (PubChem CID 94831928) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine
PubChem CID94831928
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine
SMILESBrc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-7-5-16(6-8-19)13-23-20-9-11-21(12-10-20)24-14-17-3-1-2-4-18(17)15-24/h1-13H,14-15H2/b23-13+
InChIKeySSKUJZQNGKAZCK-YDZHTSKRSA-N
XLogP5.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855402
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
4-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]iminomethyl]benzoic acid
CID 94831942
4-[(E)-[[2-(4-bromophenyl)-1,3-dihydroisoindole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 124525519
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
[4-[4-(benzylideneamino)phenyl]piperazin-1-yl]methanedithiol
CID 58131608
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126089759
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine (CID 94831928) is 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine is Brc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine?
The InChIKey is SSKUJZQNGKAZCK-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-19-7-5-16(6-8-19)13-23-20-9-11-21(12-10-20)24-14-17-3-1-2-4-18(17)15-24/h1-13H,14-15H2/b23-13+.
What are the key properties of 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine?
1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine has a molecular weight of 377.29 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanimine is sourced from PubChem (CID 94831928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).